2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid

C16H19N3O3 — CID 655766

IUPAC2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid
SMILESCCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-2-12(16(21)22)8-9-15(20)17-14-10-11-19(18-14)13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H,21,22)(H,17,18,20)
InChIKeyNSJGSGOFYGSHNI-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.70
Rot. Bonds7

About 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid

2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid (PubChem CID 655766) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid
PubChem CID655766
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid
SMILESCCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-2-12(16(21)22)8-9-15(20)17-14-10-11-19(18-14)13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H,21,22)(H,17,18,20)
InChIKeyNSJGSGOFYGSHNI-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-[4-oxo-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid
CID 3540028
2-[3-Oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid
CID 3756553
5-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]-5-oxopentanoic acid
CID 2815262
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589089
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 134596218
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134596221
2-{4-oxo-4-[(1-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl}hexanoic acid
CID 657765
5-[(1-methyl-1H-pyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812991
5-Oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid
CID 4561257
3-methyl-2-(2-methylpropyl)-5-oxo-5-[(1-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid
CID 658611
5-oxo-5-[(1-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid
CID 661242
5-[(2,5-Dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812978

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
The IUPAC name of 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid (CID 655766) is 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid is CCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
The InChIKey is NSJGSGOFYGSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-12(16(21)22)8-9-15(20)17-14-10-11-19(18-14)13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H,21,22)(H,17,18,20).
What are the key properties of 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid is sourced from PubChem (CID 655766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).